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Solvation thermodynamics from cavity shapes of amino acids
According to common physical chemistry wisdom, the solvent cavities hosting a solute are tightly sewn around it, practically coinciding with its van der Waals surface. Solvation entropy is primarily determined by the surface and the volume of the cavity while enthalpy is determined by the solute–sol...
Autores principales: | Azizi, Khatereh, Laio, Alessandro, Hassanali, Ali |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10400782/ https://www.ncbi.nlm.nih.gov/pubmed/37545648 http://dx.doi.org/10.1093/pnasnexus/pgad239 |
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